SCHEMBL8337331

SCHEMBL8337331

C=C(O)Cc1ccc(OCc2csc(-c3ccccc3)n2)c(OC)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.53
ALDH1A1 P00352 6/20 0.53
HPGD P15428 3/20 0.53
MAPT P10636 3/20 0.53
GAA P10253 1/20 0.52
TP53 P04637 2/20 0.50
KCNH2 Q12809 1/20 0.48
SCN9A Q15858 1/20 0.48
TDP1 Q9NUW8 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.47
HTR7 P34969 1/20 0.47
NPC1 O15118 1/20 0.45
PKM P14618 1/20 0.45
TSHR P16473 1/20 0.45
NFKB1 P19838 1/20 0.45
RAB9A P51151 1/20 0.45
NFKB2 Q00653 1/20 0.45
RELA Q04206 1/20 0.45
HSD17B10 Q99714 1/20 0.45
F2RL3 Q96RI0 2/20 0.45

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6972867 0.80 ALDH1A1 (0.64) KDM4EALDH1A1HPGDMAPTGAA
SCHEMBL8337511 0.79 FFAR1 (0.49) KDM4EALDH1A1HPGDMAPTSMN1; SMN2
SCHEMBL8337336 0.79 ALDH1A1 (0.65) KDM4EALDH1A1HPGDMAPTGAA
SCHEMBL8337333 0.79 ALDH1A1 (0.65) KDM4EALDH1A1HPGDMAPTGAA
SCHEMBL6965868 0.77 ALDH1A1 (0.65) KDM4EALDH1A1HPGDMAPTGAA
SCHEMBL6965864 0.77 ALDH1A1 (0.65) KDM4EALDH1A1HPGDMAPTGAA
SCHEMBL6967418 0.76 ALDH1A1 (0.47) KDM4EALDH1A1HPGDMAPTGAA
SCHEMBL6961283 0.74 KDM4E (0.81) KDM4EALDH1A1HPGDMAPTNPC1
SCHEMBL6961279 0.74 KDM4E (0.81) KDM4EALDH1A1HPGDMAPTNPC1
SCHEMBL6967428 0.74 ALDH1A1 (0.43) KDM4EALDH1A1HPGDMAPTGAA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5965589-A AN ACTIVE MATERIAL HAVING HYPOGLYCEMIC ACTIVITY AND BLOOD LIPID LOWERING ACTIVITY, FOR USE AS AN ANTIDIABETIC AGENT TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1999-10-12 US disclosed
EP-0783496-A1 THIAZOLIDINEDIONE DERIVATIVES, THEIR PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 1997-07-16 EP disclosed
WO-1996005186-A1 THIAZOLIDINEDIONE DERIVATIVES, THEIR PRODUCTION AND USE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-02-22 WO disclosed